A Study of DNA Mutation Causing a Cancer Using Gene Editing Program and Molecular Geometry Analysis

Bonds of DNA have conformational flexibility to adopt stable and unique structures to the VSEPR theory. The helical structure is more stable than the single-stranded, straight forms, as adjacent bases in a strand come closer together. This stabilizes the interactions between the adjacent bases.

This research investigated the stability of nitrogenous base molecules, including C-T, C-U, and U-U. Computational chemistry, Density Functional Theory (DFT), was used in order to model the structures and electron properties of the compound. We hypothesized that there are more stereo-chemically and thermodynamically favorable bases with optimal optimization energy. Also, the results showed that the optimization energy of the studied gene molecules and adduct does not change linearly to the molecular weight measured. Thus the weight and the size of molecules are independent of the optimized energy. The difference between the optimization energy of Guanine vs. Cytosine and G-BPDE vs. Cytosine was calculated, and it is very similar to that of the difference of the optimization energy between Guanine vs. Cytosine, Cytosine vs. Guanine, and G-BPDE:Cytosine Cytosine vs. Guanine, meaning that BPDE will add about a difference to the optimization energy of the Guanine vs. Cytosine and G-BPDE:Cytosine compound.